#include <RestartPlan.h>

Static Public Member Functions
static RestartCapabilities	all ()

static RestartCapabilities	restartdata_only ()

Public Attributes
bool	ao = false
	can read <prefix>.restartaodata

bool	nwchem = false
	can read an NWChem movecs file

Detailed Description

which restart sources the asking engine can actually read

Not every engine can read every source, and pretending otherwise turns a clear "not implemented" into a confusing "file not found". moldft can read all of them; nemo can read neither the AO projections (SCF::restart_aos is reachable only from SCF::get_initial_orbitals, which nemo never calls, and the file holds <AO|psi> where nemo needs <AO|F>) nor NWChem movecs.

Member Function Documentation

◆ all()

static RestartCapabilities madness::RestartCapabilities::all ( )

inlinestatic

Referenced by madness::MolecularEnergy::value().

◆ restartdata_only()

static RestartCapabilities madness::RestartCapabilities::restartdata_only ( )

inlinestatic

Referenced by madness::Nemo::value().

Member Data Documentation

◆ ao

bool madness::RestartCapabilities::ao = false

can read <prefix>.restartaodata

◆ nwchem

bool madness::RestartCapabilities::nwchem = false

can read an NWChem movecs file

The documentation for this struct was generated from the following file:

RestartPlan.h

Static Public Member Functions